Geometry & MOs

Info

ID:	148661
PubChem CID:	53788329
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	164.050715
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	7.0
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonylpentan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCC[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations